SCHEMBL490711

SCHEMBL490711

CC[CH]CC[CH]CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11860065 0.84
SCHEMBL50571 0.84
SCHEMBL8328 0.82
SCHEMBL11203071 0.82 TSHR (0.33)
SCHEMBL11625872 0.82
SCHEMBL974751 0.82
SCHEMBL3462493 0.82
SCHEMBL7816038 0.82
SCHEMBL1697365 0.82
SCHEMBL6601641 0.82

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410497-B1 DETERGENTS; BLEACHES; ANTISEPTICS BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US claimed
EP-0698029-A1 PROCESS FOR THE PREPARATION OF AZAMACROCYLCIC OR ACYCLIC AMINOPHOSPHONATE ESTER DERIVATIVES THE DOW CHEMICAL COMPANY (US) 1996-02-28 EP claimed
WO-1994026753-A1 PROCESS FOR THE PREPARATION OF AZAMACROCYLCIC OR ACYCLIC AMINOPHOSPHONATE ESTER DERIVATIVES THE DOW CHEMICAL COMPANY (US) 1994-11-24 WO claimed
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
WO-2012033298-A3 METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME 일진머티리얼즈 주식회사 (KR) 2012-05-10 WO disclosed
US-20120043207-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-8105770-B2 Method of detecting amplification or deletion in genomic DNA Fragment WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-31 US disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 EP disclosed
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-4649181-A Glycidyloxy diketones CIBA-GEIGY CORPORATION (US) 1987-03-10 US disclosed
US-4395418-A 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1983-07-26 US disclosed
US-3996193-A POLYALKYLENEPOLYAMINES, DIOLEFIN RUBBER THE DOW CHEMICAL COMPANY (US) 1976-12-07 US disclosed